SCHEMBL18525117

SCHEMBL18525117

COC(OC)c1c(Cl)c(C)c(C(=O)Oc2ccccc2)c(OCc2ccccc2)c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
GLRA1 P23415 1/20 0.35
MCL1 Q07820 2/20 0.35
KDM4E B2RXH2 1/20 0.35
BAK1 Q16611 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18525122 0.88 PTPN1 (0.42) PTPN1LMNAHPGDMRGPRX4GLRA1
SCHEMBL18525092 0.88 PTPN1 (0.38) PTPN1LMNAHPGDTHRATHRB
SCHEMBL9287286 0.88 PTPN1 (0.40) PTPN1LMNAHPGDMRGPRX4THRA
SCHEMBL18525115 0.87 FAAH (0.37) LMNATHRATHRBKMT2ATSHR
SCHEMBL9287344 0.85 PTPN1 (0.40) PTPN1LMNAHPGDTHRATHRB
SCHEMBL9284201 0.82 PTPN1 (0.40) PTPN1LMNAHPGDMRGPRX4THRA
SCHEMBL18525331 0.81 PTPN1 (0.39) PTPN1LMNAHPGDTHRATHRB
SCHEMBL20803895 0.81 PTPN1 (0.42) PTPN1LMNAHPGDMRGPRX4GLRA1
SCHEMBL9279670 0.78 LMNA (0.39) PTPN1LMNAHPGDTHRATHRB
SCHEMBL16299399 0.78 FAAH (0.36) LMNATHRATHRBKMT2ATSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190077803-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2019-03-14 US disclosed
US-20170044160-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-02-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170044160-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A PTPN1 402/4885LMNA 3089/4885HPGD 2557/4885
US-20190077803-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A PTPN1 402/4885LMNA 3089/4885HPGD 2557/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.